(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid

C13H18N2O3 — CID 113342255

IUPAC(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(CN)cc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-3-11(13(17)18)15-12(16)10-6-4-9(8-14)5-7-10/h4-7,11H,2-3,8,14H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyWDUYLIUWVAYEFQ-LLVKDONJSA-N
MW250.30 g/mol
LogP1.13
Rot. Bonds6

About (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid

(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid (PubChem CID 113342255) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
PubChem CID113342255
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(CN)cc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-3-11(13(17)18)15-12(16)10-6-4-9(8-14)5-7-10/h4-7,11H,2-3,8,14H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyWDUYLIUWVAYEFQ-LLVKDONJSA-N
XLogP1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
(2R)-2-[[4-(aminomethyl)benzoyl]amino]hexanedioic acid
CID 107835693
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid (CID 113342255) is (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(CN)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid?
The InChIKey is WDUYLIUWVAYEFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-11(13(17)18)15-12(16)10-6-4-9(8-14)5-7-10/h4-7,11H,2-3,8,14H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid?
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 113342255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).